# This is the experimental data
#format: "molecule" : "group", "temperature", "molecule weight", "density", "hv"
EXP_DATA = {
"ethylacetylene" : ["acetylene", 273.2,  54.090,   0.678,    5.86],
"acetylene" : ["acetylene", 198.2,  26.040,   0.612,    3.64],
"methylacetylene" : ["acetylene", 248.2,  40.060,   0.673,    5.62],
"dimethylacetylene" : ["acetylene", 293.2,  54.090,   0.691,    6.44],
"ethylethanoate" : ["acid", 350.3,  88.110,   0.831,    7.63],
"formic" : ["acid", 373.8,  46.030,   1.108,    5.42],
"methylacetate" : ["acid", 391.2,  60.050,   0.939,    5.66],
"methylbenzoate" : ["acid", 298.2, 136.150,   1.083,   13.28],
"methylethanoate" : ["acid", 330.3,  74.080,   0.885,    7.25],
"propanoic" : ["acid", 298.2,  74.080,   0.988,    7.68],
"1-Pentanol" : ["alcohols", 411.0,  88.150,   0.714,   10.71],
"1-Octanol" : ["alcohols", 468.0, 130.230,   0.681,   14.80],
"2-Butanol" : ["alcohols", 373.0,  74.120,   0.727,    3.67],
"2-methylpropan-2-ol" : ["alcohols", 355.0,  74.120,   0.715,   25.69],
"1,5-Pentanediol" : ["alcohols", 512.0, 104.150,   0.773,   34.54],
"ethanol" : ["alcohols", 293.2,  46.070,   0.789,   10.20],
"isopropanol" : ["alcohols", 293.2,  60.100,   0.785,   10.96],
"methanol" : ["alcohols", 293.2,  32.040,   0.791,    9.01],
"phenol" : ["alcohols", 323.2,  94.110,   1.050,   13.36],
"propanol" : ["alcohols", 293.2,  60.100,   0.804,   11.44],
"acetaldehyde" : ["aldehydes", 293.9,   0.000,   0.807,    5.88],
"pentanal" : ["aldehydes", 376.0,   0.000,   0.734,    8.24],
"octanal" : ["aldehydes", 444.2,   0.000,   0.700,   10.08],
"2-pentanone" : ["aldehydes", 375.0,   0.000,   0.718,    8.01],
"2-octanone" : ["aldehydes", 446.0,   0.000,   0.681,   10.59],
"acetaldehyde" : ["aldehydes", 293.2,  44.050,   0.783,    6.16],
"acetone" : ["aldehydes", 329.3,  58.080,   0.750,    7.03],
"but_aldehyde" : ["aldehydes", 293.2,  72.110,   0.802,    8.08],
"formaldehyde" : ["aldehydes", 254.0,  30.030,   0.812,    5.54],
"me_eth_ketone" : ["aldehydes", 352.8,  72.110,   0.743,    7.48],
"pro_aldehyde" : ["aldehydes", 293.2,  58.080,   0.792,    7.16],
"butane" : ["alkane", 273.0,   0.000,   0.602,    5.36],
"octane" : ["alkane", 399.0,   0.000,   0.612,    8.31],
"dodecane" : ["alkane", 489.0,   0.000,   0.593,   10.61],
"cyclohexane" : ["alkane", 293.2,  84.200,   0.778,    8.13],
"ethane" : ["alkane", 184.5,  30.100,   0.546,    3.51],
"isopentane" : ["alkane", 293.2,  72.200,   0.620,    6.01],
"methane" : ["alkane", 111.0,  16.000,   0.424,    1.96],
"pentane" : ["alkane", 293.2,  72.200,   0.626,    6.39],
"propane" : ["alkane", 231.1,  44.100,   0.581,    4.49],
"2-methylpropene" : ["alkene", 266.3,  56.110,   0.627,    5.31],
"cis-2-butene" : ["alkene", 276.9,  56.110,   0.642,    5.60],
"trans-2-butene" : ["alkene", 274.0,  56.110,   0.628,    5.47],
"1-octene" : ["alkene", 394.4, 112.210,   0.624,    8.22],
"1,5-hexadiene" : ["alkene", 332.7,  82.140,   0.655,    6.58],
"butene" : ["alkene", 266.9,  56.110,   0.628,    5.28],
"ethylene" : ["alkene", 169.4,  28.050,   0.568,    3.23],
"propene" : ["alkene", 225.4,  42.080,   0.611,    4.42],
"1-(dimethylamino)ethanol" : ["amides", 298.2,  87.120,   0.937,   12.01],
"(dimethylamino)methanol" : ["amides", 298.2,  73.100,   0.944,   11.21],
"aminomethanol" : ["amides", 298.2,  45.040,   1.107,   14.38],
"(methylamino)methanol" : ["amides", 298.2,  59.070,   1.005,   13.43],
"cyclohexanamine" : ["amines", 457.6,  93.130,   0.874,   10.14],
"methanamine" : ["amines", 266.8,  31.060,   0.691,    6.12],
"ammonia" : ["amines", 239.8,  17.030,   0.682,    5.58],
"propan-1-amine" : ["amines", 320.0,  59.110,   0.689,    7.06],
"trimethylamine" : ["amines", 276.0,  59.110,   0.655,    5.48],
"dimethylamine" : ["amines", 281.0,   0.000,   0.669,    6.35],
"trimethylamine" : ["amines", 275.0,   0.000,   0.656,    5.62],
"ethylamine" : ["amines", 291.0,   0.000,   0.685,    6.51],
"diethylamine" : ["amines", 329.0,   0.000,   0.669,    6.90],
"triethylamine" : ["amines", 362.0, 101.190,   0.663,    7.38],
"ethylbenzene" : ["benzenes", 409.4, 106.170,   0.761,    8.58],
"propylbenzene" : ["benzenes", 432.4, 120.190,   0.736,    9.17],
"o-xylene" : ["benzenes", 417.6, 106.170,   0.770,    8.84],
"m-xylene" : ["benzenes", 412.3, 106.170,   0.757,    8.68],
"p-xylene" : ["benzenes", 411.5, 106.170,   0.753,    8.56],
"naphthalene" : ["benzenes", 491.1, 128.170,   0.862,   10.38],
"benz" : ["benzenes", 298.2,  78.110,   0.872,    8.09],
"toulene" : ["benzenes", 298.2,  92.140,   0.865,    9.09],
"2,5-dimethylhexane" : ["branched_alkane", 303.2, 114.230,   0.685,    8.93],
"2-methylheptane" : ["branched_alkane", 303.2, 114.230,   0.690,    9.49],
"2,2,4-trimethylpentane" : ["branched_alkane", 303.2, 114.230,   0.684,    8.42],
"2,2,3,3-tetramethylbutane" : ["branched_alkane", 303.2, 114.230,   0.649,   10.26],
"2,2-dimethylhexane" : ["branched_alkane", 303.2, 114.230,   0.687,    8.93],
"2-methylpropane" : ["branched_alkane", 261.4,  58.120,   0.774,    7.19],
"2,2-dimethylpropane" : ["branched_alkane", 282.7,  72.150,   0.796,    7.59],
"2,3-dimethylbutane" : ["branched_alkane", 331.1,  86.180,   0.827,    9.33],
"2,2-dimethylhexane" : ["branched_alkane", 380.0, 114.230,   0.825,   11.35],
"2,5-dimethylhexane" : ["branched_alkane", 382.3, 114.230,   0.824,   11.43],
"3,4-dimethylhexane" : ["branched_alkane", 390.9, 114.230,   0.842,   11.34],
"dimethyl_ether" : ["ether", 249.0,  46.070,   0.729,    5.15],
"ethyl_methyl_ether" : ["ether", 283.0,  60.100,   0.711,    6.31],
"diethyl_ether" : ["ether", 307.7,  74.120,   0.697,    6.47],
"diisopropyl_ether" : ["ether", 341.4, 102.170,   0.674,    7.07],
"dipropyl_ether" : ["ether", 363.0, 102.170,   0.676,    7.69],
"1,2-dimethoxyethane" : ["ether", 358.0,  90.120,   0.795,    7.61],
"methyl_tert-butyl ether" : ["ether", 328.2,  88.142,   0.674,   7.07],
"bf" : ["fluoro", 293.2,  96.100,   1.024,    8.32],
"ef20" : ["fluoro", 264.5,  66.050,   0.979,    5.15],
"ef30" : ["fluoro", 223.2,  84.040,   1.176,    4.65],
"ef31" : ["fluoro", 263.5, 102.040,   1.329,99999.00],
"mf2" : ["fluoro", 260.0,  52.030,   1.099,    4.68],
"pf303" : ["fluoro", 262.1, 152.050,   1.470,99999.00],
"1,2-ethanediol" : ["glycol", 470.5,  62.070,   0.968,   12.55],
"1,2-propanediol" : ["glycol", 487.0,  76.090,   0.854,   12.37],
"2-methoxyethan-1-ol" : ["glycol", 397.6,  76.090,   0.836,    9.43],
"pyridine" : ["Heterocyclic", 388.6,  79.100,   0.979,    9.61],
"thiophene" : ["Heterocyclic", 357.3,  84.140,   1.059,    8.32],
"furan" : ["Heterocyclic", 304.7,  68.070,   0.935,    6.62],
"pyrrole" : ["Heterocyclic", 402.9,  67.090,   0.965,   10.85],
"oxazole" : ["Heterocyclic", 342.7,  69.060,   0.718,    7.77],
"co2" : ["ll_molecules", 216.6,  44.010,   1.179,    3.65],
"no" : ["ll_molecules", 123.0,  30.010,   1.269,    3.31],
"acetonitrile" : ["nitriles", 293.2,  41.050,   0.783,    7.87],
"butanenitrile" : ["nitriles", 293.2,  69.110,   0.790,    9.40],
"propionitrile" : ["nitriles", 293.2,  55.080,   0.782,    8.61],
"nitromethane" : ["nitroalkanes", 374.4,  61.040,   1.023,    8.38],
"nitroethane" : ["nitroalkanes", 387.2,  75.070,   0.931,    8.63],
"ar" : ["noble_gas",  87.3,  39.940,   1.393,    1.54],
"ne" : ["noble_gas",  27.1,  20.180,   1.205,    0.41],
"isi4" : ["silanes", 293.2, 122.440,   0.792,    7.48],
"isi5" : ["silanes", 293.2, 152.550,   0.820,    9.72],
"si4" : ["silanes", 293.2, 122.400,   0.795,    8.21],
"si5" : ["silanes", 293.2, 152.550,   0.827,    9.97],
"dms3" : ["siloxanes", 298.2, 310.710,   0.851,   14.89],
"dsds" : ["siloxanes", 273.2, 138.440,   0.876,    9.20],
"ds" : ["siloxanes", 193.2,  78.230,   0.881,    5.84],
"dimethyl_sulfide" : ["sulfides", 310.5,  62.140,   1.084,   12.27],
"diethyl_sulfide" : ["sulfides", 365.3,  90.190,   0.764,    7.65],
"ethylmethylsulfide" : ["sulfides", 298.2,  76.160,   0.837,    7.61],
"diethylsulfane" : ["sulfur", 298.2,  90.190,   0.831,    8.55],
"dimethylsulfane" : ["sulfur", 298.2,  62.140,   0.842,    6.65],
"methanethiol" : ["thiols", 279.2,  48.110,   0.888,    5.87],
"ethanethiol" : ["thiols", 298.2,  62.140,   0.833,    6.58],
"pentanethiol" : ["thiols", 399.8, 104.220,   0.740,    8.41],
"octanethiol" : ["thiols", 472.3, 146.300,   0.693,   10.16],
}
